tert-butyl 4-[2-(cyclopropylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(cyclopropylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(cyclopropylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-(cyclopropylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(cyclopropylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(cyclopropylmethyl)-1-keto-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4CC4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4CC4)C=C2

InChI

InChI=1S/C22H31N3O3/c1-22(2,3)28-21(27)24-12-10-23(11-13-24)18-7-6-17-8-9-25(15-16-4-5-16)20(26)19(17)14-18/h6-7,14,16H,4-5,8-13,15H2,1-3H3